SCHEMBL4247761

SCHEMBL4247761

Cc1cccc(N2CCN(CCC(C)NC(C)c3cc(C)n(-c4ccccc4)n3)CC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 13/20 0.44
HTR2C P28335 13/20 0.44
SLC6A4 P31645 12/20 0.44
MAPT P10636 1/20 0.43
DRD2 P14416 2/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR7 P34969 2/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4245602 0.89 MEN1 (0.46) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL4251617 0.87 HTR2A (0.49) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL4249394 0.76 MEN1 (0.47) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL4245206 0.76 HTR2A (0.40) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL4248244 0.75 CACNA1G (0.51) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL4251622 0.74 MEN1 (0.52) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL23328104 0.74 HTR2A (0.61) HTR2AHTR2CSLC6A4DRD2DRD3
SCHEMBL4252495 0.74 CACNA1G (0.53) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL4252496 0.72 MEN1 (0.49) MEN1ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL4251700 0.72 MAPT (0.42) MEN1ALDH1A1KMT2AHTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP claimed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US claimed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP claimed
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP disclosed